N-(2-methylphenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-methylphenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0457 |
| Compound Name: | N-(2-methylphenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CCCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9926 |
| logD: | 3.9926 |
| logSw: | -4.0549 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.02 |
| InChI Key: | IABAAMSRMMCJMJ-UHFFFAOYSA-N |